Chem
J-GLOBAL ID：200907060882438026
Nikkaji number：J2.707.167H
Muraymycin D2
ムライマイシンD2
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C36H59N11O16
Molecular formula furigana： C36-H59-N11-O16
Molecular weight： 901.929
InChI：
InChI=1S/C36H59N11O16/c1-13(2)18(44-29(54)20(15-6-10-41-34(38)42-15)46-35(59)45-19(14(3)4)31(55)56)28(53)40-9-5-8-39-21(32(57)58)26(63-33-25(52)22(49)16(12-37)61-33)27-23(50)24(51)30(62-27)47-11-7-17(48)43-36(47)60/h7,11,13-16,18-27,30,33,39,49-52H,5-6,8-10,12,37H2,1-4H3,(H,40,53)(H,44,54)(H,55,56)(H,57,58)(H3,38,41,42)(H,43,48,60)(H2,45,46,59)/t15-,16+,18-,19-,20-,21-,22+,23-,24+,25+,26-,27-,30+,33-/m0/s1
InChI key：
BGBHFOAVPKMTCZ-VDTQIKQWSA-N
SMILES：
CC(C)[C@H](NC(=O)N[C@@H]([C@@H]1CCNC(=N)N1)C(=O)N[C@@H](C(C)C)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(=O)O)C(=O)O
Systematic name (3)：
- (S)-2-[3-[(S)-1-(2-イミノヘキサヒドロピリミジン-4α-イル)-2-オキソ-2-[[(S)-1-[[3-[[(1S,2S)-1-カルボキシ-2-[[3α,4α-ジヒドロキシ-5β-(アミノメチル)テトラヒドロフラン-2β-イル]オキシ]-2-[3β,4β-ジヒドロキシ-5α-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)テトラヒドロフラン-2α-イル]エチル]アミノ]プロピル]カルバモイル]-2-メチルプロピル]アミノ]エチル]ウレイド]-3-メチルブタン酸
- (2S)-2-({[(S)-{[(1S)-1-[(3-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(アミノメチル)-3,4-ジヒドロキシオキソラン-2-イル]オキシ}-1-カルボキシ-2-[(2S,3S,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]エチル]アミノ}プロピル)カルバモイル]-2-メチルプロピル]カルバモイル}[(4S)-2-イミノ-1,3-ジアジナン-4-イル]メチル]カルバモイル}アミノ)-3-メチルブタン酸
- (2S)-2-({[(S)-{[(1S)-1-[(3-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino}propyl)carbamoyl]-2-methylpropyl]carbamoyl}[(4S)-2-imino-1,3-diazinan-4-yl]methyl]carbamoyl}amino)-3-methylbutanoic acid
- (S)-2-[3-[(S)-1-(2-Iminohexahydropyrimidine-4α-yl)-2-oxo-2-[[(S)-1-[[3-[[(1S,2S)-1-carboxy-2-[[3α,4α-dihydroxy-5β-(aminomethyl)tetrahydrofuran-2β-yl]oxy]-2-[3β,4β-dihydroxy-5α-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)tetrahydrofuran-2α-yl]ethyl]amino]propyl]carbamoyl]-2-methylpropyl]amino]ethyl]ureido]-3-methylbutanoic acid
- ムライマイシンD2
- Muraymycin D2
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